Excitation spectra of 2,5‐dihydroxy‐p‐benzoquinone monomer and hydrates

Autor:	Richard L. Redington, B. Rajaram, Theresa E. Redington, Robert W. Field
Rok vydání:	1992
Předmět:	Deuterium Chemistry Hydrogen bond Intramolecular force Kinetic isotope effect General Physics and Astronomy Physical and Theoretical Chemistry Photochemistry Hydrate Benzoquinone Excitation Isotopomers
Zdroj:	The Journal of Chemical Physics. 97:1624-1629
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.463204
Popis:	The fluorescence excitation spectrum of the lowest allowed singlet–singlet transition of jet‐cooled 2,5‐dihydroxy‐p‐benzoquinone is reported. The transition is assigned as S3←S0, 1Bu←1Ag, π*←π and the 0–0 band origin is at 275.55 nm. Twenty vibrational levels, which include half of the Ag fundamentals, are assigned for the S3 state. The observed laser‐induced fluorescence transitions are structureless peaks with bandwidths that depend on the intensity of the excitation laser. No spectral multiplets attributable to intramolecular tunneling were observed. Deuterium isotope shifts of the 0–0 transition are +21 cm−1 per internal hydrogen bond. The 0–0 transitions of hydrate isotopomers with hydration shifts of only +11 cm−1 per water molecule are reported.
Databáze:	OpenAIRE
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